2-(aziridin-2-yl)-3-methyl-4-phenylmethoxypyridine

C15H16N2O — CID 163646322

IUPAC2-(aziridin-2-yl)-3-methyl-4-phenylmethoxypyridine
SMILESCc1c(OCc2ccccc2)ccnc1C1CN1
InChIInChI=1S/C15H16N2O/c1-11-14(7-8-16-15(11)13-9-17-13)18-10-12-5-3-2-4-6-12/h2-8,13,17H,9-10H2,1H3
InChIKeyIINDLLFMMRANKZ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.61
Rot. Bonds4

About 2-(aziridin-2-yl)-3-methyl-4-phenylmethoxypyridine

2-(aziridin-2-yl)-3-methyl-4-phenylmethoxypyridine (PubChem CID 163646322) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(aziridin-2-yl)-3-methyl-4-phenylmethoxypyridine.

Molecular Properties

Compound Name2-(aziridin-2-yl)-3-methyl-4-phenylmethoxypyridine
PubChem CID163646322
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-(aziridin-2-yl)-3-methyl-4-phenylmethoxypyridine
SMILESCc1c(OCc2ccccc2)ccnc1C1CN1
InChIInChI=1S/C15H16N2O/c1-11-14(7-8-16-15(11)13-9-17-13)18-10-12-5-3-2-4-6-12/h2-8,13,17H,9-10H2,1H3
InChIKeyIINDLLFMMRANKZ-UHFFFAOYSA-N
XLogP2.61
TPSA44.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(3-methyl-4-phenylmethoxy-2-pyridinyl)hydrazine
CID 70451114
4-(3-phenylmethoxy-2-pyridinyl)pyrrolidin-2-one
CID 15110932
4,7-bis(phenylmethoxy)-1,10-phenanthroline
CID 23134911
3-[(2-phenylmethoxyphenoxy)methyl]azetidine
CID 164512457
2-bromo-4-ethyl-3-methyl-5-phenylmethoxypyridine
CID 90979990
(2R,5S)-5-methyl-2-(4-phenylmethoxyphenyl)piperidine
CID 169114961
1,5-dimethyl-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 118966802
4-phenylmethoxyquinoline
CID 11299312
2-methyl-5-phenylmethoxypyrimidin-4-amine
CID 91812202
2-bromo-3-methyl-4-phenylmethoxyphenol
CID 150350676
2-(2-phenylmethoxyphenyl)azetidine
CID 130043680
3,4-dimethyl-5-phenylmethoxypyridine
CID 70023630

Frequently Asked Questions

What is the IUPAC name of 2-(aziridin-2-yl)-3-methyl-4-phenylmethoxypyridine?
The IUPAC name of 2-(aziridin-2-yl)-3-methyl-4-phenylmethoxypyridine (CID 163646322) is 2-(aziridin-2-yl)-3-methyl-4-phenylmethoxypyridine.
What is the SMILES notation for 2-(aziridin-2-yl)-3-methyl-4-phenylmethoxypyridine?
The canonical SMILES for 2-(aziridin-2-yl)-3-methyl-4-phenylmethoxypyridine is Cc1c(OCc2ccccc2)ccnc1C1CN1.
What is the InChIKey of 2-(aziridin-2-yl)-3-methyl-4-phenylmethoxypyridine?
The InChIKey is IINDLLFMMRANKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11-14(7-8-16-15(11)13-9-17-13)18-10-12-5-3-2-4-6-12/h2-8,13,17H,9-10H2,1H3.
What are the key properties of 2-(aziridin-2-yl)-3-methyl-4-phenylmethoxypyridine?
2-(aziridin-2-yl)-3-methyl-4-phenylmethoxypyridine has a molecular weight of 240.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aziridin-2-yl)-3-methyl-4-phenylmethoxypyridine is sourced from PubChem (CID 163646322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).